O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol
TL;DR: O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol (CAS 99152-14-4) is a chemical compound with molecular formula C48H68N2O10S and molecular weight 864.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]tetradecanoate
Also Known As: dansyl-TPA, 12-O-3-N-dansylamino-TPA, Cid 125026, Dansyl-12-O-tetradecanoyl phorbol 13-acetate, O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol
| Molecular Formula | C48H68N2O10S |
|---|---|
| Molecular Weight | 864.46 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 864.4595 |
| Heavy Atoms | 61 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 99152-14-4 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C)NS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
| InChIKey | PTPNZPDZZJBWHN-UHFFFAOYSA-N |
Product Overview
O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol (CAS 99152-14-4), with molecular formula C48H68N2O10S and molecular weight 864.46 g/mol. IUPAC: [13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]tetradecanoate.
Chemical Property Profile of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol
Property Insights of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol
The XLogP value of 7.9 indicates that O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol?
The CAS number of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol is 99152-14-4.
What is the molecular formula of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol?
The molecular formula of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol is C48H68N2O10S.
What is the molecular weight of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol?
The molecular weight of O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol is 864.46 g/mol.
Where can I buy O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol?
You can request a quote for O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol?
Yes, KEHONG BIO provides custom synthesis services for O-(N-Dansylamino-3-tetradecanoyl)-12,O-acetyl-13-phorbol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.